![]() $ sudo apt-get remove -purge nvidia* cuda-drivers libcuda1-396 cuda-runtime-9-2 cuda-9.2 cuda-demo-suite-9-2 cuda ![]() $ sudo apt-get autoremove -purge nvidia* cuda-drivers libcuda* cuda-runtime* cuda-8-0 cuda-demo* $ sudo apt-get remove -purge cuda-drivers libcuda* cuda-runtime* cuda-8-0 cuda-demo* $ sudo apt-get remove -purge cuda-* libcuda* nvidia* Open a terminal and type the following commands: Therefore, it’s better to first remove them and then install the latest drivers, otherwise, it will give you errors. It might be possible that you have already NVIDIA CUDA drivers installed on your system. $ sudo apt-get upgrade Downloading CUDA toolkit Open a terminal by pressing Ctrl+Alt+T and type: It is good practice to update your repository information and software packages before installing new programs. In this tutorial, you will find some additional steps for GPU acceleration. If you want to install without GPU support, you can simply follow the steps mentioned in that article. In this article, we will install GROMACS with GPU acceleration.įor detailed instructions, read our previous article. We have provided different tutorials regarding MD simulation using GROMACS including its installation on Ubuntu. GROMACS is one of the most popular software in bioinformatics for molecular dynamic (MD) studies of macromolecules.
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